3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide

C19H31N3O2 — CID 113115863

IUPAC3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O
InChIInChI=1S/C19H31N3O2/c1-5-8-14-22(16(4)23)15-13-19(24)20-17-9-11-18(12-10-17)21(6-2)7-3/h9-12H,5-8,13-15H2,1-4H3,(H,20,24)
InChIKeyBCQKXPUKXVUIGI-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.51
Rot. Bonds10

About 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide

3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 113115863) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
PubChem CID113115863
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O
InChIInChI=1S/C19H31N3O2/c1-5-8-14-22(16(4)23)15-13-19(24)20-17-9-11-18(12-10-17)21(6-2)7-3/h9-12H,5-8,13-15H2,1-4H3,(H,20,24)
InChIKeyBCQKXPUKXVUIGI-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
ethyl 4-[3-[acetyl(butyl)amino]propanoylamino]benzoate
CID 113115882
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113123119
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113118135
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide (CID 113115863) is 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide is CCCCN(CCC(=O)Nc1ccc(N(CC)CC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is BCQKXPUKXVUIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-8-14-22(16(4)23)15-13-19(24)20-17-9-11-18(12-10-17)21(6-2)7-3/h9-12H,5-8,13-15H2,1-4H3,(H,20,24).
What are the key properties of 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide?
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 333.48 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 113115863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).